1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane

C26H42 — CID 123841923

IUPAC1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane
SMILESCC1C2C3C4CC5C(C)C46C(C)(C)C3(C)C2(C)C(C)(C(C)C)C6(C)C15C
InChIInChI=1S/C26H42/c1-13(2)22(8)24(10)18-15(4)21(7)16-12-17-19(18)23(24,9)20(5,6)26(17,14(16)3)25(21,22)11/h13-19H,12H2,1-11H3
InChIKeyHBOPAIZOVHNHQW-UHFFFAOYSA-N
MW354.62 g/mol
LogP6.90
Rot. Bonds1

About 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane

1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane (PubChem CID 123841923) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane.

Molecular Properties

Compound Name1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane
PubChem CID123841923
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane
SMILESCC1C2C3C4CC5C(C)C46C(C)(C)C3(C)C2(C)C(C)(C(C)C)C6(C)C15C
InChIInChI=1S/C26H42/c1-13(2)22(8)24(10)18-15(4)21(7)16-12-17-19(18)23(24,9)20(5,6)26(17,14(16)3)25(21,22)11/h13-19H,12H2,1-11H3
InChIKeyHBOPAIZOVHNHQW-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane?
The IUPAC name of 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane (CID 123841923) is 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane.
What is the SMILES notation for 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane?
The canonical SMILES for 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane is CC1C2C3C4CC5C(C)C46C(C)(C)C3(C)C2(C)C(C)(C(C)C)C6(C)C15C.
What is the InChIKey of 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane?
The InChIKey is HBOPAIZOVHNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-13(2)22(8)24(10)18-15(4)21(7)16-12-17-19(18)23(24,9)20(5,6)26(17,14(16)3)25(21,22)11/h13-19H,12H2,1-11H3.
What are the key properties of 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane?
1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane has a molecular weight of 354.62 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane is sourced from PubChem (CID 123841923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).